N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide

C23H23Cl2N5O2 — CID 56968928

IUPACN-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide
SMILESCc1cc2c(o1)c(C(=O)NCC1CCCCC1)cc1[nH]c(Nc3c(Cl)cncc3Cl)nc12
InChIInChI=1S/C23H23Cl2N5O2/c1-12-7-14-19-18(28-23(29-19)30-20-16(24)10-26-11-17(20)25)8-15(21(14)32-12)22(31)27-9-13-5-3-2-4-6-13/h7-8,10-11,13H,2-6,9H2,1H3,(H,27,31)(H2,26,28,29,30)
InChIKeyCJZCQAOBTAPYQR-UHFFFAOYSA-N
MW472.38 g/mol
LogP6.37
Rot. Bonds5

About N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide

N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide (PubChem CID 56968928) has the molecular formula C23H23Cl2N5O2 and a molecular weight of 472.38 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide
PubChem CID56968928
Molecular FormulaC23H23Cl2N5O2
Molecular Weight472.38 g/mol
Exact Mass471.12
IUPAC NameN-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide
SMILESCc1cc2c(o1)c(C(=O)NCC1CCCCC1)cc1[nH]c(Nc3c(Cl)cncc3Cl)nc12
InChIInChI=1S/C23H23Cl2N5O2/c1-12-7-14-19-18(28-23(29-19)30-20-16(24)10-26-11-17(20)25)8-15(21(14)32-12)22(31)27-9-13-5-3-2-4-6-13/h7-8,10-11,13H,2-6,9H2,1H3,(H,27,31)(H2,26,28,29,30)
InChIKeyCJZCQAOBTAPYQR-UHFFFAOYSA-N
XLogP6.37
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.38
LogP ≤ 56.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide (CID 56968928) is N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide is Cc1cc2c(o1)c(C(=O)NCC1CCCCC1)cc1[nH]c(Nc3c(Cl)cncc3Cl)nc12.
What is the InChIKey of N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is CJZCQAOBTAPYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N5O2/c1-12-7-14-19-18(28-23(29-19)30-20-16(24)10-26-11-17(20)25)8-15(21(14)32-12)22(31)27-9-13-5-3-2-4-6-13/h7-8,10-11,13H,2-6,9H2,1H3,(H,27,31)(H2,26,28,29,30).
What are the key properties of N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide?
N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 472.38 g/mol, XLogP of 6.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 56968928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).